diethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium

C14H24O6P3+ — CID 58735339

IUPACdiethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium
SMILESCCOP(OCC)[P+](=O)C(C)(O)P(=O)(OCC)c1ccccc1
InChIInChI=1S/C14H24O6P3/c1-5-18-22(19-6-2)21(16)14(4,15)23(17,20-7-3)13-11-9-8-10-12-13/h8-12,15H,5-7H2,1-4H3/q+1
InChIKeyCNQOHZFKDHKISE-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.42
Rot. Bonds10

About diethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium

diethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium (PubChem CID 58735339) has the molecular formula C14H24O6P3+ and a molecular weight of 381.26 g/mol. Its IUPAC name is diethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium.

Molecular Properties

Compound Namediethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium
PubChem CID58735339
Molecular FormulaC14H24O6P3+
Molecular Weight381.26 g/mol
Exact Mass381.08
IUPAC Namediethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium
SMILESCCOP(OCC)[P+](=O)C(C)(O)P(=O)(OCC)c1ccccc1
InChIInChI=1S/C14H24O6P3/c1-5-18-22(19-6-2)21(16)14(4,15)23(17,20-7-3)13-11-9-8-10-12-13/h8-12,15H,5-7H2,1-4H3/q+1
InChIKeyCNQOHZFKDHKISE-UHFFFAOYSA-N
XLogP4.42
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium?
The IUPAC name of diethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium (CID 58735339) is diethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium.
What is the SMILES notation for diethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium?
The canonical SMILES for diethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium is CCOP(OCC)[P+](=O)C(C)(O)P(=O)(OCC)c1ccccc1.
What is the InChIKey of diethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium?
The InChIKey is CNQOHZFKDHKISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6P3/c1-5-18-22(19-6-2)21(16)14(4,15)23(17,20-7-3)13-11-9-8-10-12-13/h8-12,15H,5-7H2,1-4H3/q+1.
What are the key properties of diethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium?
diethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium has a molecular weight of 381.26 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphanyl-[1-[ethoxy(phenyl)phosphoryl]-1-hydroxyethyl]-oxophosphanium is sourced from PubChem (CID 58735339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).